SCHEMBL9901781

SCHEMBL9901781

CC(C)(C)OC(=O)N1CCOc2c(-c3cccc(F)c3)csc2C1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 4/20 0.42
RIPK1 Q13546 1/20 0.39
USP30 Q70CQ3 1/20 0.38
HPGDS O60760 1/20 0.37
SCD5 Q86SK9 2/20 0.36
GRM5 P41594 1/20 0.36
GRM1 Q13255 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
TGM2 P21980 1/20 0.36
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
TP53 P04637 1/20 0.36
ESR2 Q92731 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPK1 P28482 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3283691 0.83 MAPK1 (0.43) MKNK1RIPK1USP30HPGDSGRM5
SCHEMBL9902640 0.83 BRD4 (0.40) MKNK1USP30HPGDSSCD5GRM5
SCHEMBL9902373 0.81 GPR119 (0.43) RIPK1USP30SCD5GPR119BRD4
SCHEMBL9903677 0.77 USP2 (0.44) MKNK1RIPK1ESR2USP2SMN1; SMN2
SCHEMBL9902475 0.74 USP2 (0.42) SCD5ESR2USP2SMN1; SMN2MAPK1
SCHEMBL9902986 0.73 USP2 (0.41) USP30GPR119ESR2USP2SMN1; SMN2
SCHEMBL9903878 0.73 USP2 (0.41) USP30ESR2USP2SMN1; SMN2MAPK1
SCHEMBL9903147 0.73 USP2 (0.39) RIPK1ESR2USP2SMN1; SMN2MAPK1
SCHEMBL9903300 0.73 USP2 (0.39) RIPK1ESR2USP2SMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL11893474 0.72 USP2 (0.40) USP30GPR119ESR2USP2SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8916549-B2 Thienooxazepine derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-23 US disclosed
US-20120196848-A1 THIENOOXAZEPINE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-02 US disclosed
EP-2463290-A1 THIENOOXAZEPINE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2012-06-13 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120196848-A1 THIENOOXAZEPINE DERIVATIVE HTR2C, HTR2B, HTR2A MKNK1 1813/4885RIPK1 2833/4885USP30 4627/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.